Daldinone A
TL;DR: Daldinone A (CAS 479669-74-4) is a chemical compound with molecular formula C20H16O5 and molecular weight 336.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,11S,12R)-2,7,17-trihydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),3(8),4,6,16,18-hexaene-9,15-dione
Also Known As: Daldinone A, J1.853.993D, (2R,11S,12R)-2,7,17-trihydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),3(8),4,6,16,18-hexaene-9,15-dione, (6aR,6bS,12bR)-5,6,6a,6b,7,12b-hexahydro-3,9,12b-trihydroxy-benzo[j]fluoranthene-4,8-dione, 2,10,14-Trihydroxy-9,19:10,11-bis-7,16-tetralone
| Molecular Formula | C20H16O5 |
|---|---|
| Molecular Weight | 336.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 336.09976 |
| Heavy Atoms | 25 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 479669-74-4 |
|---|---|
| SMILES | C1CC(=O)C2=C(C=CC3=C2[C@H]1[C@H]4[C@@]3(C5=C(C(=O)C4)C(=CC=C5)O)O)O |
| InChIKey | OYRYUFABCKQXTO-HGCCHXFOSA-N |
Product Overview
Daldinone A (CAS 479669-74-4), with molecular formula C20H16O5 and molecular weight 336.10 g/mol. IUPAC: (2R,11S,12R)-2,7,17-trihydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),3(8),4,6,16,18-hexaene-9,15-dione.
Chemical Property Profile of Daldinone A
Property Insights of Daldinone A
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Daldinone A. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Daldinone A. Following Lipinski's Rule of Five, Daldinone A has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Daldinone A?
The CAS number of Daldinone A is 479669-74-4.
What is the molecular formula of Daldinone A?
The molecular formula of Daldinone A is C20H16O5.
What is the molecular weight of Daldinone A?
The molecular weight of Daldinone A is 336.10 g/mol.
Where can I buy Daldinone A?
You can request a quote for Daldinone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Daldinone A?
Yes, KEHONG BIO provides custom synthesis services for Daldinone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.